3-[4-[2-(1-pyridin-4-ylpiperidin-4-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(1-pyridin-4-ylpiperidin-4-yl)ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-[2-[1-(4-pyridyl)-4-piperidyl]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-(1-pyridin-4-yl-4-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(1-pyridin-4-ylpiperidin-4-yl)ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-[2-[1-(4-pyridyl)-4-piperidyl]ethoxy]phenyl]propionic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCOC2=CC=C(C=C2)CCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1CCOC2=CC=C(C=C2)CCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C21H26N2O3/c24-21(25)6-3-17-1-4-20(5-2-17)26-16-11-18-9-14-23(15-10-18)19-7-12-22-13-8-19/h1-2,4-5,7-8,12-13,18H,3,6,9-11,14-16H2,(H,24,25)